SCHEMBL9921345

SCHEMBL9921345

Fc1ccc2ncnc(NCc3ccc4scnc4c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
USP13 Q92995 1/20 0.69
HTT P42858 2/20 0.52
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
CLK4 Q9HAZ1 8/20 0.49
EGFR P00533 3/20 0.48
ERBB2 P04626 2/20 0.48
LMNA P02545 2/20 0.47
CLK1 P49759 1/20 0.46
RIPK2 O43353 2/20 0.46
RIPK3 Q9Y572 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1068401 0.82 USP10 (1.00) USP10PIK3C3USP13HTTCNR1
SCHEMBL29359604 0.82 USP10 (1.00) USP10PIK3C3USP13HTTCNR1
SCHEMBL13170963 0.78 USP10 (0.84) USP10PIK3C3USP13HTTCNR1
SCHEMBL9921341 0.78 USP10 (0.84) USP10PIK3C3USP13HTTCNR1
SCHEMBL9921336 0.73 HTT (0.46) USP10PIK3C3USP13HTTEGFR
SCHEMBL13192047 0.73 USP10 (0.80) USP10PIK3C3USP13HTTCNR1
SCHEMBL9921506 0.73 USP10 (0.80) USP10PIK3C3USP13HTTCNR1
SCHEMBL9921355 0.71 USP10 (0.71) USP10PIK3C3USP13HTTCNR1
SCHEMBL7469214 0.71 USP10 (0.76) USP10PIK3C3USP13HTTCNR1
SCHEMBL4054554 0.70 ALDH1A1 (0.50) RIPK2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 WO disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 USP10 1695/4885PIK3C3 186/4885USP13 2044/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.